CID 15954836

Schembl6819357

Structural Information

Molecular Formula
C16H17N3O3S
SMILES
CC(=O)NC1=CC=C(C=C1)NC(=S)NC2=C(C=C(C=C2)OC)O
InChI
InChI=1S/C16H17N3O3S/c1-10(20)17-11-3-5-12(6-4-11)18-16(23)19-14-8-7-13(22-2)9-15(14)21/h3-9,21H,1-2H3,(H,17,20)(H2,18,19,23)
InChIKey
DUXPIIWERTUJBF-UHFFFAOYSA-N
Compound name
N-[4-[(2-hydroxy-4-methoxyphenyl)carbamothioylamino]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

331.09906 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.10634 175.3
[M+Na]+ 354.08828 180.4
[M-H]- 330.09178 180.6
[M+NH4]+ 349.13288 187.8
[M+K]+ 370.06222 175.7
[M+H-H2O]+ 314.09632 166.9
[M+HCOO]- 376.09726 194.0
[M+CH3COO]- 390.11291 212.6
[M+Na-2H]- 352.07373 176.6
[M]+ 331.09851 175.7
[M]- 331.09961 175.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe